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89844-80-4 | 1H-1,2,3-Triazole-4-carbonitrile, 1-nonyl-5-phenyl-
CAS No: 89844-80-4 Catalog No: AG003XGU MDL No:
Product Description
Catalog Number:
AG003XGU
Chemical Name:
1H-1,2,3-Triazole-4-carbonitrile, 1-nonyl-5-phenyl-
CAS Number:
89844-80-4
Molecular Formula:
C18H24N4
Molecular Weight:
296.4100
IUPAC Name:
1-nonyl-5-phenyltriazole-4-carbonitrile
InChI:
InChI=1S/C18H24N4/c1-2-3-4-5-6-7-11-14-22-18(17(15-19)20-21-22)16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14H2,1H3
InChI Key:
LHTLVOQDNMCZAU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCn1nnc(c1c1ccccc1)C#N
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.2g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.418g/mol
Monoisotopic Mass:
296.2g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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